[6-chloranyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 6-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: [6-chloranyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 6-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: (3-benzyl-6-chloro-4-methyl-2-oxo-chromen-7-yl) 6-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[(4-methylphenyl)sulfonylamino]hexanoic acid [6-chloro-4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl] ester IUPAC Name: (3-benzyl-6-chloro-4-methyl-2-oxochromen-7-yl) 6-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-(tosylamino)hexanoic acid (3-benzyl-6-chloro-2-keto-4-methyl-chromen-7-yl) ester Formula: C30H30ClNO6S MolecularWeight: 568.0803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(=O)OC2=C(C=C3C(=C(C(=O)OC3=C2)CC4=CC=CC=C4)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(=O)OC2=C(C=C3C(=C(C(=O)OC3=C2)CC4=CC=CC=C4)C)Cl

InChI

InChI=1S/C30H30ClNO6S/c1-20-12-14-23(15-13-20)39(35,36)32-16-8-4-7-11-29(33)37-28-19-27-24(18-26(28)31)21(2)25(30(34)38-27)17-22-9-5-3-6-10-22/h3,5-6,9-10,12-15,18-19,32H,4,7-8,11,16-17H2,1-2H3